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2-Butanol, 3-methyl-

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-75.62 ± 0.43kcal/molEqkConnett, 1970ALS
Deltafgas-74.83kcal/molN/AChao and Rossini, 1965Value computed using «DELTA»fHliquid° value of -366.6±0.7 kj/mol from Chao and Rossini, 1965 and «DELTA»vapH° value of 53.5 kj/mol from Connett, 1970.; DRB
Quantity Value Units Method Reference Comment
gas92.88 ± 0.91cal/mol*KN/AConnett, 1970This value was obtained from equilibrium study.; GT

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-88.41 ± 0.33kcal/molEqkConnett, 1970ALS
Deltafliquid-87.63 ± 0.17kcal/molCcbChao and Rossini, 1965ALS
Quantity Value Units Method Reference Comment
Deltacliquid-792.33 ± 0.15kcal/molCcbChao and Rossini, 1965Corresponding «DELTA»fliquid = -87.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
58.77298.15Atrashenok, Nesterov, et al., 1991T = 218 to 373 K. Cp(liq) = 4.81853 - 3.12708(T/100) + 0.182356(T/100)2 + 0.484126(T/100)3 - 0.0905712(T/100)4 kJ/kg*K.; DH

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil385. ± 3.KAVGN/AAverage of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple131.5KN/AZubkov, Peshenko, et al., 1990Glass phase; Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Tc556.1 ± 0.5KN/AGude and Teja, 1995 
Tc556.1KN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Pc38.2 ± 0.2atmN/AGude and Teja, 1995 
Pc38.19atmN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.39 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap12.67kcal/molN/AMajer and Svoboda, 1985 
Deltavap12.3 ± 0.07kcal/molGSKulikov, Verevkin, et al., 2001Based on data from 280. - 301. K.; AC
Deltavap12.8 ± 0.1kcal/molVConnett, 1970ALS
Deltavap12.4kcal/molCMcCurdy and Laidler, 1963AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.7295.AStephenson and Malanowski, 1987Based on data from 280. - 375. K.; AC
11.1308.AStephenson and Malanowski, 1987Based on data from 293. - 385. K.; AC
12.6313.N/AWilhoit and Zwolinski, 1973Based on data from 298. - 384. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C5H11O- + Hydrogen cation = 2-Butanol, 3-methyl-

By formula: C5H11O- + H+ = C5H12O

Quantity Value Units Method Reference Comment
Deltar372.7 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar373.0 ± 2.8kcal/molG+TSBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar366.1 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar366.4 ± 2.7kcal/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B

2-Butanol, 3-methyl- = Hydrogen + 2-Butanone, 3-methyl-

By formula: C5H12O = H2 + C5H10O

Quantity Value Units Method Reference Comment
Deltar12.9 ± 0.38kcal/molEqkConnett, 1970gas phase; ALS

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1316
NIST MS number 233629

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Connett, 1970
Connett, J.E., Chemical equilibria. Part III. Dehydrogenation of pentan-1-ol, pentan-2-ol, and 3-methylbutan-2-ol, J. Chem. Soc. A, 1970, 1284-1286. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Atrashenok, Nesterov, et al., 1991
Atrashenok, T.R.; Nesterov, N.A.; Zhuk, I.P.; Peshchenko, A.D., Measured specific heats of hexan-1-ol and 3-methyl-2-butanol over wide temperature ranges, Inzh.-Fiz. Zh., 1991, 61(2), 301-304. [all data]

Zubkov, Peshenko, et al., 1990
Zubkov, V.I.; Peshenko, A.D.; Markovnik, V.S., Thermodynamic properties of 3-methyl-2-butanol and 3,3-dimethyl-2-butanol in Vses. Konf. Term. Org. Soedin. 6th, Minsk, p 46, 1990. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols, J. Chem. Thermodyn., 1991, 23, 67-76. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Determination of Vapor Pressures and Vaporization Enthalpies of the Aliphatic Branched C 5 and C 6 Alcohols, J. Chem. Eng. Data, 2001, 46, 6, 1593-1600, https://doi.org/10.1021/je010187p . [all data]

McCurdy and Laidler, 1963
McCurdy, K.G.; Laidler, K.J., HEATS OF VAPORIZATION OF A SERIES OF ALIPHATIC ALCOHOLS, Can. J. Chem., 1963, 41, 8, 1867-1871, https://doi.org/10.1139/v63-274 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T., The gas phase acidity of aliphatic alcohols, J. Am. Chem. Soc., 1983, 105, 2203. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References